propan-2-yl 2-[[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]ethanoate

Systemtic Name: propan-2-yl 2-[[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]ethanoate Openeye Name: isopropyl 2-[[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]acetate CAS Name: 2-[[6-[4-(2-fluorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]amino]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]amino]acetate Traditional Name: 2-[[6-[4-(2-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]amino]acetic acid isopropyl ester Formula: C19H23FN6O4 MolecularWeight: 418.422123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

CC(C)OC(=O)CNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C19H23FN6O4/c1-13(2)30-16(27)11-21-18-17(26(28)29)19(23-12-22-18)25-9-7-24(8-10-25)15-6-4-3-5-14(15)20/h3-6,12-13H,7-11H2,1-2H3,(H,21,22,23)